SCHEMBL9669552

SCHEMBL9669552

COc1c([N+](=O)[O-])ncn1C

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.62
ALDH1A1 P00352 7/20 0.62
HTT P42858 6/20 0.62
LMNA P02545 5/20 0.62
KDM4E B2RXH2 1/20 0.58
GAA P10253 2/20 0.54
RECQL P46063 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
KMT2A Q03164 2/20 0.50
BLM P54132 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MEN1 O00255 1/20 0.48
HPGD P15428 1/20 0.46
ATM Q13315 1/20 0.46
CYP2C19 P33261 2/20 0.45
GFER P55789 2/20 0.45
CYP2C9 P11712 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9669632 0.77 MAPT (1.00) MAPTALDH1A1HTTLMNAKDM4E
SCHEMBL422634 0.75 KDM4E (0.63) MAPTALDH1A1HTTLMNAKDM4E
SCHEMBL5367724 0.75 KDM4E (0.63) MAPTALDH1A1HTTLMNAKDM4E
SCHEMBL10201244 0.74 ALDH1A1 (0.62) MAPTALDH1A1HTTLMNAKDM4E
SCHEMBL4575394 0.74 KDM4E (0.58) MAPTALDH1A1HTTLMNAKDM4E
SCHEMBL18721830 0.73 KDM4E (0.61) MAPTALDH1A1HTTLMNAKDM4E
SCHEMBL2871452 0.73 KDM4E (0.61) MAPTALDH1A1HTTLMNAKDM4E
SCHEMBL2871450 0.73 KDM4E (0.61) MAPTALDH1A1HTTLMNAKDM4E
SCHEMBL9453945 0.73 KDM4E (0.61) MAPTALDH1A1HTTLMNAKDM4E
SCHEMBL3236045 0.73 KDM4E (1.00) MAPTALDH1A1HTTLMNAKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090226500-A1 SUTURES AND ANTI-SCARRING AGENTS ANGIOTECH PHARMACEUTICALS, INC (CA) 2009-09-10 US disclosed
EP-0293742-B1 PROCESS FOR THE PRODUCTION OF 4-NITRO-5-IMIDAZOLYLETHERS AND -THIOETHERS BASF Aktiengesellschaft (DE) 1992-07-22 EP disclosed
US-4900825-A REACTING DINITROIMIDAZOLES WITH ALCOHOLS OR MERCAPTANS BASF AKTIENGSELLSCHAFT (DE) 1990-02-13 US disclosed
EP-0293742-A1 Process for the production of 4-nitro-5-imidazolylethers and -thioethers BASF Aktiengesellschaft (DE) 1988-12-07 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090226500-A1 SUTURES AND ANTI-SCARRING AGENTS COL1A1, COL2A1, COL14A1 MAPT 2564/4885ALDH1A1 2866/4885HTT 4120/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.